1-amino-2-(trifluoromethyl)butan-1-ol

C5H10F3NO — CID 162593874

IUPAC1-amino-2-(trifluoromethyl)butan-1-ol
SMILESCCC(C(N)O)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-2-3(4(9)10)5(6,7)8/h3-4,10H,2,9H2,1H3
InChIKeyLXENQMVKLSNBGP-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.85
Rot. Bonds2

About 1-amino-2-(trifluoromethyl)butan-1-ol

1-amino-2-(trifluoromethyl)butan-1-ol (PubChem CID 162593874) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 1-amino-2-(trifluoromethyl)butan-1-ol.

Molecular Properties

Compound Name1-amino-2-(trifluoromethyl)butan-1-ol
PubChem CID162593874
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name1-amino-2-(trifluoromethyl)butan-1-ol
SMILESCCC(C(N)O)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-2-3(4(9)10)5(6,7)8/h3-4,10H,2,9H2,1H3
InChIKeyLXENQMVKLSNBGP-UHFFFAOYSA-N
XLogP0.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4,4,4-trifluoro-3-methylbutan-1-ol
CID 9877444
(2S,3S)-2-Amino-4,4,4-trifluoro-3-methyl-butan-1-ol HCl
CID 42632353
(2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol
CID 42632354
(2S,3R)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol
CID 59287956
Amino-(2,2-difluorocyclopropyl)methanol
CID 68377089
(2S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol
CID 87731090
1-Amino-4,4,4-trifluorobutan-1-ol
CID 123287462
2-(Aminomethyl)-3-fluorobutan-1-ol
CID 123569861
3-Methyl-1-(2,2,2-trifluoroethylamino)butan-1-ol
CID 129207222
3-(Aminomethyl)-1,1-difluoropentan-2-ol
CID 143016309
1-Amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)pentan-1-ol
CID 150677014
[3,3-Difluoro-2-(hydroxymethyl)butyl]-methylazanium
CID 153565684

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(trifluoromethyl)butan-1-ol?
The IUPAC name of 1-amino-2-(trifluoromethyl)butan-1-ol (CID 162593874) is 1-amino-2-(trifluoromethyl)butan-1-ol.
What is the SMILES notation for 1-amino-2-(trifluoromethyl)butan-1-ol?
The canonical SMILES for 1-amino-2-(trifluoromethyl)butan-1-ol is CCC(C(N)O)C(F)(F)F.
What is the InChIKey of 1-amino-2-(trifluoromethyl)butan-1-ol?
The InChIKey is LXENQMVKLSNBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-2-3(4(9)10)5(6,7)8/h3-4,10H,2,9H2,1H3.
What are the key properties of 1-amino-2-(trifluoromethyl)butan-1-ol?
1-amino-2-(trifluoromethyl)butan-1-ol has a molecular weight of 157.13 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(trifluoromethyl)butan-1-ol is sourced from PubChem (CID 162593874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).